2-methoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide

C25H21F6NO2 — CID 59458569

IUPAC2-methoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCOCC(=O)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H21F6NO2/c1-34-16-22(33)32-23(15-17-7-3-2-4-8-17,18-9-5-11-20(13-18)24(26,27)28)19-10-6-12-21(14-19)25(29,30)31/h2-14H,15-16H2,1H3,(H,32,33)
InChIKeyMYSURXHOCFZNQY-UHFFFAOYSA-N
MW481.44 g/mol
LogP5.97
Rot. Bonds7

About 2-methoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide

2-methoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 59458569) has the molecular formula C25H21F6NO2 and a molecular weight of 481.44 g/mol. Its IUPAC name is 2-methoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID59458569
Molecular FormulaC25H21F6NO2
Molecular Weight481.44 g/mol
Exact Mass481.15
IUPAC Name2-methoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCOCC(=O)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H21F6NO2/c1-34-16-22(33)32-23(15-17-7-3-2-4-8-17,18-9-5-11-20(13-18)24(26,27)28)19-10-6-12-21(14-19)25(29,30)31/h2-14H,15-16H2,1H3,(H,32,33)
InChIKeyMYSURXHOCFZNQY-UHFFFAOYSA-N
XLogP5.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.44
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 59458569) is 2-methoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide is COCC(=O)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is MYSURXHOCFZNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F6NO2/c1-34-16-22(33)32-23(15-17-7-3-2-4-8-17,18-9-5-11-20(13-18)24(26,27)28)19-10-6-12-21(14-19)25(29,30)31/h2-14H,15-16H2,1H3,(H,32,33).
What are the key properties of 2-methoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide?
2-methoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 481.44 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 59458569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).